0 B12R2.2 C1=CC(C2CCCN2)=CC=N1 3H31-1-XE [1,0,0,0,0,0|3,0,0]=4 1 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P911-A-43 [1,0,0,0,0,0|2,0,0]=3 2 B12R2.2 C1=CC=C(C2CCCN2)N=C1 3H32-1-Q0 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.2 C1=CC=C(C2NCCS2)C=C1 7H70-1-Y2 [1,0,0,0,0,0|1,1,0]=3 4 B12R2.2 C1=CN=CC(C2CCCN2)=C1 3H31-1-Z4 [1,0,0,0,0,0|3,0,0]=4 5 B14R2.403 CC1(C)COC(C2=CC=CN=C2)=N1 4H56-1-XA [0,1,0,0,0,0|2,0,1]=4 6 B12R1.27 CC(CO)NCC1=CC=CC=C1 4656-1-AA [0,0,1,0,0,0|1,0,0]=2 7 B12R1.27 NCC(=O)OCC1=CC=CC=C1 4657-5-0Q [0,0,1,0,0,0|2,0,1]=4 8 B12R1.27 O=C(NO)OCC1=CC=CC=C1 4656-1-9J [0,0,1,0,0,0|2,0,1]=4 9 B12R1.30 CCCCC(=O)C1=CC=CC=C1 2617-1-15 [0,0,1,0,0,0|1,0,2]=4 10 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 2623-1-07 [0,0,1,0,0,0|0,0,2]=3 11 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 3732-1-X7 [0,0,1,0,0,0|3,0,0]=4 12 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 2607-1-S4 [0,0,1,0,0,0|0,0,0]=1 13 B12R1.252 O=C(O)CCCC1=CC=CC=C1 2621-1-X9 [0,0,1,0,0,0|2,0,1]=4 14 B12R1.252 O=C(O)COCC1=CC=CC=C1 2721-1-97 [0,0,1,0,0,0|1,0,1]=3 15 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 2717-1-Z2 [0,0,0,0,1,0|2,0,1]=4 16 B14R2.21 CN1CCNC(C2=CC=CC=C2)C1 3H32-1-L0 [0,0,0,0,0,1|3,0,0]=4 17 B11R1.12 CCN(CC)C1=CC=CC=C1 3632-1-X0 [1,0,1,0,0,0|2,0,0]=4 18 B11R1.12 COC(CO)C1=CC=CC=C1 2607-1-0Z [1,0,1,0,0,0|1,0,0]=3 19 B11R1.12 COC(OC)C1=CC=CC=C1 2608-1-X0 [1,0,1,0,0,0|0,0,0]=2 20 B11R1.16 N#CCC(O)C1=CC=CC=C1 4637-1-X0 [1,0,1,0,0,0|1,0,1]=4 21 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 2602-5-04 [1,0,1,0,0,0|1,0,0]=3 22 B11R1.28 BrCCCCC1=CC=CC=C1 1700-9-Z4 [1,0,1,0,0,0|2,0,0]=4 23 B11R1.28 CCCCNC1=CC=CC=C1 3631-1-X4 [1,0,1,0,0,0|2,0,0]=4 24 B11R1.28 ClCCNCC1=CC=CC=C1 3731-5-X5 [1,0,1,0,0,0|2,0,0]=4 25 B11R1.28 NCCOCC1=CC=CC=C1 4756-5-X8 [1,0,1,0,0,0|1,0,0]=3 26 B11R1.28 OCCCCC1=CC=CC=C1 2701-1-00 [1,0,1,0,0,0|1,0,0]=3 27 B11R1.28 OCCNCC1=CC=CC=C1 4656-1-71 [1,0,1,0,0,0|1,0,0]=3 28 B11R1.91 CC(N)CCC1=CC=CC=C1 3630-1-X9 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.91 CC(O)CCC1=CC=CC=C1 2602-1-09 [1,0,1,0,0,0|1,0,0]=3 30 B13R1.17 CCCOC(=O)C1=CC=C(N)C=C1 4858-1-X1 [0,1,1,0,0,0|0,0,2]=4 31 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1Br 2623-9-14 [0,1,1,0,0,0|0,0,2]=4 32 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1N 4658-1-08 [0,1,1,0,0,0|0,0,2]=4 33 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 2617-1-0Y [0,1,1,0,0,0|2,0,0]=4 34 B13R1.718 CC(CO)COCC1=CC=CC=C1 2707-1-09 [0,1,1,0,0,0|0,0,0]=2 35 B13R1.718 OCC(O)COCC1=CC=CC=C1 2707-1-16 [0,1,1,0,0,0|0,0,0]=2 36 B13R2.12 BrC1=CC=C(C2CCCN2)C=C1 3H31-9-16 [1,1,0,0,0,0|2,0,0]=4 37 B13R2.12 ClC1=CC=C(C2CCCN2)C=C1 3H31-5-W5 [1,1,0,0,0,0|2,0,0]=4 38 B13R2.12 FC1=CC=C(C2CCCN2)C=C1 3H31-3-28 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.12 OC1=CC=C(C2SCCS2)C=C1 6H01-1-13 [1,1,0,0,0,0|0,2,0]=4 40 B13R2.13 BrC1=CC=CC(C2OCCO2)=C1 2H08-9-X0 [1,1,0,0,0,0|0,0,0]=2 41 B13R2.18 BrC1=CC=CC=C1C2OCCO2 2710-9-X0 [1,1,0,0,0,0|0,0,0]=2 42 B15R2.30 CC1=CC(C2CCCC(C)C2)=CC=C1 1700-1-53 [0,1,0,0,0,1|2,0,0]=4 43 B15R2.467 CC1(C)COB(C2=CC=CC=C2)OC1 6660-1-56 [0,1,0,0,0,1|1,0,0]=3 44 B15R2.467 CC1(C)COB(C2=CC=CN=C2)OC1 8H60-1-T0 [0,1,0,0,0,1|2,0,0]=4 45 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 1700-1-X5 [0,0,1,1,0,0|2,0,0]=4 46 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 P612-A-34 [0,0,1,1,0,0|2,0,0]=4 47 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 3H31-1-SA [0,0,1,1,0,0|2,0,0]=4 48 B13R2.57 OCC1CCC2=CC=CC=C2O1 2H10-1-X6 [0,0,1,1,0,0|2,0,0]=4 49 B13R2.57 OC[C@@H]1CC2=C(C=CC=C2)CN1 4H01-1-M3 [0,0,1,1,0,0|1,0,0]=3 50 B13R2.2383 C1=CC=C(CNC2CCC2)C=C1 3732-5-01 [0,0,1,1,0,0|2,0,0]=4 51 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 4H56-1-LL [0,0,1,1,0,0|1,0,0]=3 52 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 2609-1-S0 [0,0,1,1,0,0|0,0,0]=2 53 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 2609-1-R0 [0,0,1,1,0,0|0,0,0]=2 54 B11R1.40 CC(CN)OC1=CC=CC=C1 4630-5-05 [0,0,1,0,1,0|1,0,0]=3 55 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 4756-1-53 [0,0,1,0,1,0|1,0,0]=3 56 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 2617-1-1L [0,0,1,0,1,0|0,0,2]=4 57 B11R2.2 C1=COC(C2OCCO2)=C1 2H10-1-1H [1,0,0,0,1,0|1,0,0]=3